null

SMILES: COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C

InChI Key: InChIKey=WJVIXGMRBQLYFG-NZQKXSOJSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50066149   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Renin (Homo sapiens (Human))	BDBM50066149 (CHEMBL3401538) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C |r| Show InChI InChI=1S/C27H36F3N3O7S/c1-18(2)33(26(34)19-6-11-24(38-4)25(14-19)39-13-5-12-37-3)17-20-15-31-16-23(20)32-41(35,36)22-9-7-21(8-10-22)40-27(28,29)30/h6-11,14,18,20,23,31-32H,5,12-13,15-17H2,1-4H3/t20-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human renin by fluorescence based FRET assay in presence of plasma				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50066149 (CHEMBL3401538) Show SMILES COCCCOc1cc(ccc1OC)C(=O)N(C[C@@H]1CNC[C@H]1NS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(C)C |r| Show InChI InChI=1S/C27H36F3N3O7S/c1-18(2)33(26(34)19-6-11-24(38-4)25(14-19)39-13-5-12-37-3)17-20-15-31-16-23(20)32-41(35,36)22-9-7-21(8-10-22)40-27(28,29)30/h6-11,14,18,20,23,31-32H,5,12-13,15-17H2,1-4H3/t20-,23+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Pharma AG Curated by ChEMBL					Assay Description Inhibition of recombinant human renin by fluorescence based FRET assay				Bioorg Med Chem Lett 25: 1782-6 (2015) Article DOI: 10.1016/j.bmcl.2015.02.039 BindingDB Entry DOI: 10.7270/Q2Z039TX
					More data for this Ligand-Target Pair